# X Y Z CHARGE MIN DIST ATOMIC VOL -------------------------------------------------------------------------------- 1 8.654987 1.665651 0.000000 11.060481 1.302918 35.378450 2 2.884993 1.665651 0.000000 11.030484 1.302920 34.910588 3 5.769994 1.665651 0.000000 10.998704 1.302916 34.880968 4 10.097488 4.164136 0.000000 11.002564 1.302915 34.738253 5 4.327494 4.164136 0.000000 11.038140 1.302916 35.584444 6 7.212495 4.164136 0.000000 11.024556 1.302913 35.453173 7 11.539985 6.662613 0.000000 11.055265 1.302916 35.142836 8 5.769990 6.662613 0.000000 10.999239 1.302918 34.710653 9 8.654992 6.662613 0.000000 11.070407 1.302915 35.470003 10 0.000000 0.000000 2.355585 10.958763 1.275719 17.062492 11 2.884993 0.000000 2.355585 10.955776 1.275717 17.061145 12 5.769994 0.000000 2.355585 10.915844 1.275720 16.931894 13 10.097484 2.498477 2.355585 10.996741 1.275717 17.294740 14 4.327489 2.498477 2.355585 10.982835 1.275716 17.311569 15 7.212491 2.498477 2.355585 10.960625 1.275719 17.160776 16 11.539984 4.996962 2.355585 10.961415 1.275720 17.153371 17 5.769990 4.996962 2.355585 10.964516 1.275719 17.182318 18 8.654992 4.996962 2.355585 10.984828 1.275721 17.259734 19 1.460979 0.853326 4.728264 11.018531 1.300924 17.377541 20 4.348144 0.830435 4.782719 11.008065 1.315536 17.539778 21 7.219770 0.845013 4.761361 11.023054 1.304756 17.498041 22 2.907786 3.350574 4.790473 11.016990 1.325748 17.622580 23 5.795380 3.343955 4.817486 11.018661 1.329012 17.885121 24 8.663205 3.368353 4.790538 11.027115 1.304678 17.758563 25 4.341234 5.819047 4.764081 11.006338 1.281663 17.445533 26 7.242606 5.820538 4.784282 11.001407 1.311335 17.564013 27 10.110873 5.830724 4.799492 11.016486 1.300529 17.535739 28 8.691576 1.724348 7.093403 11.105095 1.276145 17.300125 29 2.936109 1.697987 7.180804 11.133637 1.290488 17.551223 30 5.808773 1.676707 7.234788 11.149573 1.286132 17.842037 31 10.202668 4.183077 7.285579 11.118959 1.291254 18.064188 32 4.395236 4.134994 7.301389 11.115600 1.257521 18.247967 33 7.253299 4.195055 7.464067 11.151499 1.303175 19.162149 34 11.597973 6.671293 7.166752 11.102316 1.295091 17.529007 35 5.809916 6.717150 7.081471 11.113395 1.265537 17.312243 36 8.687292 6.666091 7.235002 11.106631 1.298025 17.734328 37 8.706276 0.134093 9.241344 10.884372 1.056656 25.898016 38 2.842653 0.042349 9.242093 10.850356 1.058575 24.569153 39 10.208108 7.443286 9.301904 10.870861 1.052182 28.166642 40 10.047388 2.406538 9.267114 10.832939 1.049304 25.643553 41 4.334967 2.193743 9.370240 10.738742 0.858796 15.822489 42 7.367908 2.265159 9.291086 10.832453 1.042949 27.182449 43 3.106903 5.254160 9.421010 10.752365 1.061476 22.304566 44 5.642442 5.390502 9.238280 10.676849 0.853234 13.519531 45 8.949352 5.097588 9.339799 10.837350 1.055614 30.201674 46 4.907828 4.511954 10.863032 3.443412 0.310930 13.016663 47 4.232440 3.000821 11.122088 3.187940 0.236639 10.727168 48 5.939693 4.780621 11.455993 6.881591 0.578217 40.477810 49 3.804477 2.723310 12.201179 7.011509 0.633226 52.469215 -------------------------------------------------------------------------------- VACUUM CHARGE: 0.0047 VACUUM VOLUME: 270.0513 NUMBER OF ELECTRONS: 515.0000